pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.05	IUPAC digitized pKa	0	-1	CCC[C@@H](S)CN,CCC[C@@H]([S-])C[NH3+]	CCC[C@@H]([S-])CN	mol9469	CCCC(S)CN
8.32	IUPAC digitized pKa	1	0	CCC[C@@H](S)C[NH3+]	CCC[C@@H](S)CN,CCC[C@@H]([S-])C[NH3+]	mol9469	CCCC(S)CN